6,7-dimethoxy-3-phenyl-1H-quinoxalin-2-one

C16H14N2O3 — CID 10540846

IUPAC6,7-dimethoxy-3-phenyl-1H-quinoxalin-2-one
SMILESCOc1cc2nc(-c3ccccc3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C16H14N2O3/c1-20-13-8-11-12(9-14(13)21-2)18-16(19)15(17-11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,18,19)
InChIKeyJHDFVCADDXAART-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.61
Rot. Bonds3

About 6,7-dimethoxy-3-phenyl-1H-quinoxalin-2-one

6,7-dimethoxy-3-phenyl-1H-quinoxalin-2-one (PubChem CID 10540846) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 6,7-dimethoxy-3-phenyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6,7-dimethoxy-3-phenyl-1H-quinoxalin-2-one
PubChem CID10540846
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name6,7-dimethoxy-3-phenyl-1H-quinoxalin-2-one
SMILESCOc1cc2nc(-c3ccccc3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C16H14N2O3/c1-20-13-8-11-12(9-14(13)21-2)18-16(19)15(17-11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,18,19)
InChIKeyJHDFVCADDXAART-UHFFFAOYSA-N
XLogP2.61
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-phenyl-1H-quinoxalin-2-one?
The IUPAC name of 6,7-dimethoxy-3-phenyl-1H-quinoxalin-2-one (CID 10540846) is 6,7-dimethoxy-3-phenyl-1H-quinoxalin-2-one.
What is the SMILES notation for 6,7-dimethoxy-3-phenyl-1H-quinoxalin-2-one?
The canonical SMILES for 6,7-dimethoxy-3-phenyl-1H-quinoxalin-2-one is COc1cc2nc(-c3ccccc3)c(=O)[nH]c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-3-phenyl-1H-quinoxalin-2-one?
The InChIKey is JHDFVCADDXAART-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-13-8-11-12(9-14(13)21-2)18-16(19)15(17-11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,18,19).
What are the key properties of 6,7-dimethoxy-3-phenyl-1H-quinoxalin-2-one?
6,7-dimethoxy-3-phenyl-1H-quinoxalin-2-one has a molecular weight of 282.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-phenyl-1H-quinoxalin-2-one is sourced from PubChem (CID 10540846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).